SCHEMBL15364768

SCHEMBL15364768

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C(=O)NCCO)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.76
CNR2 P34972 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 2/20 0.59
BLM P54132 2/20 0.59
KMT2A Q03164 2/20 0.59
TRPV1 Q8NER1 2/20 0.59
TRPM8 Q7Z2W7 1/20 0.59
FAAH O00519 1/20 0.59
KCNK3 O14649 1/20 0.59
HPGD P15428 2/20 0.58
MAPT P10636 1/20 0.58
ALOX12 P18054 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7645975 0.86 CNR1 (1.00) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL27641178 0.86 CNR1 (1.00) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL4680557 0.83 CNR1 (0.74) CNR1CNR2ALDH1A1MEN1BLM
Monoethanolamine SCHEMBL27906482 0.82 CNR1 (0.90) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL18124676 0.80 CNR1 (0.49) CNR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL18124664 0.80 CNR1 (0.49) CNR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6822792 0.78 CNR1 (0.80) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL5182536 0.78 CNR1 (0.80) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL5184657 0.78 CNR1 (0.80) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL18124653 0.76 USP2 (0.47) CNR1ALDH1A1MEN1KMT2AFAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150168419-A1 PREDICTION OF A SMALL-FOR-GESTATIONAL AGE (SGA) INFANT UNIVERSITY COLLEGE CORK - NATIONAL UNIVERSITY OF IRELAND, CORK (IE) 2015-06-18 US disclosed
US-20130295679-A1 PREDICTION OF A SMALL-FOR-GESTATIONAL AGE (SGA) INFANT UNIVERSITY COLLEGE CORK - NATIONAL UNIVERSITY OF IRELAND, CORK (IE) 2013-11-07 US disclosed